data_/home/k0475/k047502/DTSPs/DensestPackings/0.200000-0.500000-1.000000/10-2-1/CifFiles/0.806565.cif
_audit_creation_date              Sat Apr  3 04:52:35 2021

_audit_creation_method            'SAMLAI'
_symmetry_space_group_name_H-M    'P1'
_symmetry_Int_Tables_number       1
_symmetry_cell_setting            triclinic
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
_cell_length_a               2
_cell_length_b               2
_cell_length_c               2
_cell_angle_alpha            120
_cell_angle_beta             86.1360240566
_cell_angle_gamma            89.9970392044
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
A1   H  0.609968840575  0.970764298321  0.270436280381   0   Uiso   1
A2   Sc  0.940092437548  0.432254881128  0.76441884438   0   Uiso   1
A3   H  0.609940146582  0.400064407748  0.270571908572   0   Uiso   1
A4   H  0.270216030784  0.893745446825  0.258401425991   0   Uiso   1
A5   H  0.416651779322  0.747222748477  0.112023519588   0   Uiso   1
A6   H  0.763378295195  0.110074994561  0.116809939121   0   Uiso   1
A7   H  0.270252739127  0.46437043314  0.258227779683   0   Uiso   1
A8   H  0.116926292637  0.750623146001  0.411804978827   0   Uiso   1
A9   H  0.463510657334  0.399887007159  0.416930434789   0   Uiso   1
A10   H  0.416672140961  0.464694516756  0.111938017494   0   Uiso   1
A11   Na  0.420580385684  0.0772812228941  0.0542392217596   0   Uiso   1
A12   Na  0.459604512313  0.787228454068  0.474598405411   0   Uiso   1
A13   H  0.46353309675  0.117287033152  0.416814154667   0   Uiso   1
